1-(4-butoxyphenyl)-3-[3-(diethylaminomethyl)-4-methoxy-phenyl]thiourea hydrochloride

Systemtic Name: 1-(4-butoxyphenyl)-3-[3-(diethylaminomethyl)-4-methoxy-phenyl]thiourea hydrochloride Openeye Name: 1-(4-butoxyphenyl)-3-[3-(diethylaminomethyl)-4-methoxy-phenyl]thiourea hydrochloride CAS Name: 1-(4-butoxyphenyl)-3-[3-(diethylaminomethyl)-4-methoxyphenyl]thiourea hydrochloride IUPAC Name: 1-(4-butoxyphenyl)-3-[3-(diethylaminomethyl)-4-methoxyphenyl]thiourea hydrochloride Traditional Name: 1-(4-butoxyphenyl)-3-[3-(diethylaminomethyl)-4-methoxy-phenyl]thiourea hydrochloride Formula: C23H34ClN3O2S MolecularWeight: 452.05296

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC(=S)NC2=CC(=C(C=C2)OC)CN(CC)CC.Cl

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(=S)NC2=CC(=C(C=C2)OC)CN(CC)CC.Cl

InChI

InChI=1S/C23H33N3O2S.ClH/c1-5-8-15-28-21-12-9-19(10-13-21)24-23(29)25-20-11-14-22(27-4)18(16-20)17-26(6-2)7-3;/h9-14,16H,5-8,15,17H2,1-4H3,(H2,24,25,29);1H